CID 60818614

Cyclopentyl(3-fluorophenyl)methanamine

Structural Information

Molecular Formula
C12H16FN
SMILES
C1CCC(C1)C(C2=CC(=CC=C2)F)N
InChI
InChI=1S/C12H16FN/c13-11-7-3-6-10(8-11)12(14)9-4-1-2-5-9/h3,6-9,12H,1-2,4-5,14H2
InChIKey
SEVSBNYOVVORBB-UHFFFAOYSA-N
Compound name
cyclopentyl-(3-fluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.12668 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.13396 143.0
[M+Na]+ 216.11590 148.2
[M-H]- 192.11940 147.4
[M+NH4]+ 211.16050 163.4
[M+K]+ 232.08984 144.9
[M+H-H2O]+ 176.12394 135.5
[M+HCOO]- 238.12488 164.3
[M+CH3COO]- 252.14053 185.4
[M+Na-2H]- 214.10135 144.4
[M]+ 193.12613 136.2
[M]- 193.12723 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.